N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide

C21H29N3O6S3 — CID 24687499

IUPACN-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)c1
InChIInChI=1S/C21H29N3O6S3/c1-4-23(5-2)32(26,27)18-8-6-16(3)19(15-18)22-20(25)14-17-7-9-21(31-17)33(28,29)24-10-12-30-13-11-24/h6-9,15H,4-5,10-14H2,1-3H3,(H,22,25)
InChIKeyZFGPBICULRBJKA-UHFFFAOYSA-N
MW515.68 g/mol
LogP2.29
Rot. Bonds9

About N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide

N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide (PubChem CID 24687499) has the molecular formula C21H29N3O6S3 and a molecular weight of 515.68 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
PubChem CID24687499
Molecular FormulaC21H29N3O6S3
Molecular Weight515.68 g/mol
Exact Mass515.12
IUPAC NameN-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)c1
InChIInChI=1S/C21H29N3O6S3/c1-4-23(5-2)32(26,27)18-8-6-16(3)19(15-18)22-20(25)14-17-7-9-21(31-17)33(28,29)24-10-12-30-13-11-24/h6-9,15H,4-5,10-14H2,1-3H3,(H,22,25)
InChIKeyZFGPBICULRBJKA-UHFFFAOYSA-N
XLogP2.29
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.68
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-(dimethylsulfamoyl)-2-methylphenyl]thiophene-2-carboxamide
CID 2811895
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3-methylthiophene-2-carboxamide
CID 4102643
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-5-nitrothiophene-2-carboxamide
CID 4791406
5-bromo-N-(4-methylphenyl)-4-(4-morpholinylsulfonyl)-2-thiophenecarboxamide
CID 992214
4-ethyl-5-methyl-N-[4-(4-morpholinylsulfonyl)phenyl]-3-thiophenecarboxamide
CID 1246818
N-[4-(dimethylsulfamoyl)phenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
CID 2510848
2-[(4-methylphenyl)thio]-N-[4-(4-morpholinylsulfonyl)phenyl]propanamide
CID 2948127
[2-(4-Methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate
CID 3658108
N-(3-morpholin-4-ylsulfonylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 4188174
[2-(2-Methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 4256886
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-thiophen-3-ylacetamide
CID 4805360
[2-Oxo-2-(3-sulfamoylanilino)ethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate
CID 4830718

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide (CID 24687499) is N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide is CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
The InChIKey is ZFGPBICULRBJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O6S3/c1-4-23(5-2)32(26,27)18-8-6-16(3)19(15-18)22-20(25)14-17-7-9-21(31-17)33(28,29)24-10-12-30-13-11-24/h6-9,15H,4-5,10-14H2,1-3H3,(H,22,25).
What are the key properties of N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide has a molecular weight of 515.68 g/mol, XLogP of 2.29, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide is sourced from PubChem (CID 24687499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).